UCSF

ZINC00009065

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 2,2':6',2''-Terpyridine 2,2':6',2''-Terpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1148-79-4 , 148332-36-9 , 151120-25-1 , 2,2':6',2''-Terpyridine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 6.98 -9.07 0 3 0 39 233.274 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 370 TCI
Melting_Point 89-92? Alfa-Aesar
Melting_Point 89-92° Alfa-Aesar
MP 92 TCI
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80482-4-O SK-MEL-2 (Melanoma Cells) (cluster #4 Of 4), Other Other 180 0.52 Functional ≤ 10μM
Z80493-6-O SK-OV-3 (Ovarian Carcinoma Cells) (cluster #6 Of 6), Other Other 80 0.55 Functional ≤ 10μM
Z80682-8-O A549 (Lung Carcinoma Cells) (cluster #8 Of 11), Other Other 250 0.51 Functional ≤ 10μM
Z81034-6-O A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other Other 360 0.50 Functional ≤ 10μM
Z81335-1-O HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 230 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 125 0.54 Functional ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 250 0.51 Functional ≤ 10μM
Z81335 Z81335 HCT-15 (Colon Adenocarcinoma Cells) 230 0.52 Functional ≤ 10μM
Z80482 Z80482 SK-MEL-2 (Melanoma Cells) 180 0.52 Functional ≤ 10μM
Z80493 Z80493 SK-OV-3 (Ovarian Carcinoma Cells) 80 0.55 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )